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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-methyl-2-imidazolyl)methyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]propionamide Formula: C20H28ClN4O+ MolecularWeight: 375.91552

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=CN=C1C[NH+]2CCC(CC2)CCC(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H27ClN4O/c1-24-12-9-22-19(24)15-25-10-7-16(8-11-25)5-6-20(26)23-14-17-3-2-4-18(21)13-17/h2-4,9,12-13,16H,5-8,10-11,14-15H2,1H3,(H,23,26)/p+1