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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1CCC(=O)NC2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC1=NC=CN1CCC(=O)N[C@H]2CCC[NH+](C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4O/c1-2-19-22-10-13-25(19)12-9-20(26)23-18-4-3-11-24(15-18)14-16-5-7-17(21)8-6-16/h5-8,10,13,18H,2-4,9,11-12,14-15H2,1H3,(H,23,26)/p+1/t18-/m0/s1