4,6-dimethyl-2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carboxamide

Systemtic Name: 4,6-dimethyl-2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carboxamide Openeye Name: 4,6-dimethyl-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carboxamide CAS Name: 4,6-dimethyl-2-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 4,6-dimethyl-2-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carboxamide Traditional Name: 4,6-dimethyl-2-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]pyridin-1-ium-3-carboxamide Formula: C23H28N4O+2 MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C(=O)N)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C(=O)N)N2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43)C

InChI

InChI=1S/C23H26N4O/c1-16-14-17(2)25-23(21(16)22(24)28)27-12-10-26(11-13-27)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-9,14H,10-13,15H2,1-2H3,(H2,24,28)/p+2