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

Systemtic Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-yl-propanamide Openeye Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-yl-propanamide CAS Name: N-[[1-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-iumyl]methyl]-N-methyl-3-(1-pyrazolyl)propanamide IUPAC Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-ylpropanamide Traditional Name: N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-1-ium-4-yl]methyl]-N-methyl-3-pyrazol-1-yl-propionamide Formula: C21H30ClN4O+ MolecularWeight: 389.9421

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)C(=O)CCN3C=CC=N3

Isomeric SMILES

CN(CC1CC[NH+](CC1)CCC2=CC=C(C=C2)Cl)C(=O)CCN3C=CC=N3

InChI

InChI=1S/C21H29ClN4O/c1-24(21(27)10-16-26-12-2-11-23-26)17-19-8-14-25(15-9-19)13-7-18-3-5-20(22)6-4-18/h2-6,11-12,19H,7-10,13-17H2,1H3/p+1