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

Systemtic Name: N-[(3-chlorophenyl)methyl]-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propanamide Openeye Name: N-[(3-chlorophenyl)methyl]-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propanamide CAS Name: N-[(3-chlorophenyl)methyl]-3-[1-[(E)-2-methylbut-2-enyl]-4-piperidin-1-iumyl]propanamide IUPAC Name: N-[(3-chlorophenyl)methyl]-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propanamide Traditional Name: N-(3-chlorobenzyl)-3-[1-[(E)-2-methylbut-2-enyl]piperidin-1-ium-4-yl]propionamide Formula: C20H30ClN2O+ MolecularWeight: 349.918

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C[NH+]1CCC(CC1)CCC(=O)NCC2=CC(=CC=C2)Cl

Isomeric SMILES

C/C=C(\C)/C[NH+]1CCC(CC1)CCC(=O)NCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H29ClN2O/c1-3-16(2)15-23-11-9-17(10-12-23)7-8-20(24)22-14-18-5-4-6-19(21)13-18/h3-6,13,17H,7-12,14-15H2,1-2H3,(H,22,24)/p+1/b16-3+