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

Systemtic Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]naphthalene-2-carboxamide Openeye Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]naphthalene-2-carboxamide CAS Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-2-naphthalenecarboxamide IUPAC Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]naphthalene-2-carboxamide Traditional Name: N-[(2S)-2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-2-naphthamide Formula: C26H33N4O+ MolecularWeight: 417.56642

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N4O/c1-28(2)24-12-10-21(11-13-24)25(30-16-14-29(3)15-17-30)19-27-26(31)23-9-8-20-6-4-5-7-22(20)18-23/h4-13,18,25H,14-17,19H2,1-3H3,(H,27,31)/p+1/t25-/m1/s1