N-[3-(4-phenethylpiperazin-4-ium-1-yl)carbonylnaphthalen-2-yl]cyclopropanecarboxamide

Systemtic Name: N-[3-(4-phenethylpiperazin-4-ium-1-yl)carbonylnaphthalen-2-yl]cyclopropanecarboxamide Openeye Name: N-[3-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-naphthyl]cyclopropanecarboxamide CAS Name: N-[3-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-2-naphthalenyl]cyclopropanecarboxamide IUPAC Name: N-[3-(4-phenethylpiperazin-4-ium-1-carbonyl)naphthalen-2-yl]cyclopropanecarboxamide Traditional Name: N-[3-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-naphthyl]cyclopropanecarboxamide Formula: C27H30N3O2+ MolecularWeight: 428.546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

C1CC1C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H29N3O2/c31-26(21-10-11-21)28-25-19-23-9-5-4-8-22(23)18-24(25)27(32)30-16-14-29(15-17-30)13-12-20-6-2-1-3-7-20/h1-9,18-19,21H,10-17H2,(H,28,31)/p+1