N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-methylpiperidin-1-ium-1-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-methylpiperidin-1-ium-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-benzyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(4-methyl-1-piperidin-1-iumyl)-N-(phenylmethyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-benzyl-2-(4-methylpiperidin-1-ium-1-yl)acetamide Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCC(CC3)C)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCC(CC3)C)N

InChI

InChI=1S/C23H33N5O3/c1-3-4-12-27-21(24)20(22(30)25-23(27)31)28(15-18-8-6-5-7-9-18)19(29)16-26-13-10-17(2)11-14-26/h5-9,17H,3-4,10-16,24H2,1-2H3,(H,25,30,31)/p+1