2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(6-methoxy-2-naphthyl)methyl]-N-methyl-acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-[(6-methoxy-2-naphthalenyl)methyl]-N-methylacetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-[(6-methoxy-2-naphthyl)methyl]-N-methyl-acetamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H30N4O2/c1-29(18-23-7-8-25-16-26(33-2)10-9-24(25)15-23)27(32)20-31-13-11-30(12-14-31)19-22-5-3-21(17-28)4-6-22/h3-10,15-16H,11-14,18-20H2,1-2H3/p+1