N-(3-methylphenyl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(3-methylphenyl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: N-(m-tolyl)-3-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: N-(3-methylphenyl)-3-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(3-methylphenyl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: N-(m-tolyl)-3-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C25H31N3O+2 MolecularWeight: 389.53314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O/c1-20-6-4-10-23(18-20)26-25(29)12-13-27-14-16-28(17-15-27)19-22-9-5-8-21-7-2-3-11-24(21)22/h2-11,18H,12-17,19H2,1H3,(H,26,29)/p+2