[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]-2-oxo-ethyl]-methyl-[(1S)-tetralin-1-yl]ammonium CAS Name: [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ammonium IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl]-methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium Traditional Name: [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]-2-keto-ethyl]-methyl-[(1S)-tetralin-1-yl]ammonium Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+](C)C2CCCC3=CC=CC=C23)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+](C)[C@H]2CCCC3=CC=CC=C23)N

InChI

InChI=1S/C23H33N5O3/c1-4-6-14-28-21(24)20(22(30)25-23(28)31)27(5-2)19(29)15-26(3)18-13-9-11-16-10-7-8-12-17(16)18/h7-8,10,12,18H,4-6,9,11,13-15,24H2,1-3H3,(H,25,30,31)/p+1/t18-/m0/s1