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

Systemtic Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-indan-5-yl-propanamide CAS Name: N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-indan-5-yl-propionamide Formula: C23H31N3O+2 MolecularWeight: 365.51174

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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=CC=C4

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)NC(=O)CC[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O/c27-23(24-22-10-9-20-7-4-8-21(20)17-22)11-12-25-13-15-26(16-14-25)18-19-5-2-1-3-6-19/h1-3,5-6,9-10,17H,4,7-8,11-16,18H2,(H,24,27)/p+2