N-[(3-chlorophenyl)methyl]-3-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-[[1-(3-pyridinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-[[1-(3-pyridyl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]propionamide Formula: C25H30ClN4O+ MolecularWeight: 437.9849

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)CC3=CC=CN3C4=CN=CC=C4

Isomeric SMILES

C1C[NH+](CCC1CCC(=O)NCC2=CC(=CC=C2)Cl)CC3=CC=CN3C4=CN=CC=C4

InChI

InChI=1S/C25H29ClN4O/c26-22-5-1-4-21(16-22)17-28-25(31)9-8-20-10-14-29(15-11-20)19-24-7-3-13-30(24)23-6-2-12-27-18-23/h1-7,12-13,16,18,20H,8-11,14-15,17,19H2,(H,28,31)/p+1