dimethyl-[(1S)-2-piperazin-4-ium-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-piperazin-4-ium-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium Openeye Name: dimethyl-[(1S)-2-piperazin-4-ium-1-yl-1-tetralin-6-yl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-(1-piperazin-4-iumyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-piperazin-4-ium-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium Traditional Name: dimethyl-[(1S)-2-piperazin-4-ium-1-yl-1-tetralin-6-yl-ethyl]ammonium Formula: C18H31N3+2 MolecularWeight: 289.45884

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CN1CC[NH2+]CC1)C2=CC3=C(CCCC3)C=C2

Isomeric SMILES

C[NH+](C)[C@H](CN1CC[NH2+]CC1)C2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C18H29N3/c1-20(2)18(14-21-11-9-19-10-12-21)17-8-7-15-5-3-4-6-16(15)13-17/h7-8,13,18-19H,3-6,9-12,14H2,1-2H3/p+2/t18-/m1/s1