N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: N-indan-5-yl-3-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(1-naphthalenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(naphthalen-1-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: N-indan-5-yl-3-[4-(1-naphthylmethyl)piperazine-1,4-diium-1-yl]propionamide Formula: C27H33N3O+2 MolecularWeight: 415.57042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)NC(=O)CC[NH+]3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CC[NH+]3CC[NH+](CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H31N3O/c31-27(28-25-12-11-21-6-3-8-23(21)19-25)13-14-29-15-17-30(18-16-29)20-24-9-4-7-22-5-1-2-10-26(22)24/h1-2,4-5,7,9-12,19H,3,6,8,13-18,20H2,(H,28,31)/p+2