N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]naphthalene-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]naphthalene-2-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]naphthalene-2-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-naphthalenecarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]naphthalene-2-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-naphthamide Formula: C25H30N3O2+ MolecularWeight: 404.5246

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29N3O2/c1-27-13-15-28(16-14-27)24(20-9-11-23(30-2)12-10-20)18-26-25(29)22-8-7-19-5-3-4-6-21(19)17-22/h3-12,17,24H,13-16,18H2,1-2H3,(H,26,29)/p+1/t24-/m1/s1