N-[(2-methoxynaphthalen-1-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[(2-methoxynaphthalen-1-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[(2-methoxy-1-naphthyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[(2-methoxy-1-naphthalenyl)methylideneamino]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[(2-methoxynaphthalen-1-yl)methylideneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[(2-methoxy-1-naphthyl)methyleneamino]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1)C=NNC(=O)CC[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2/c1-31-24-12-11-20-7-5-6-10-22(20)23(24)19-26-27-25(30)13-14-28-15-17-29(18-16-28)21-8-3-2-4-9-21/h2-12,19H,13-18H2,1H3,(H,27,30)/p+1