(3S)-3-acetamido-3-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propanamide

Systemtic Name: (3S)-3-acetamido-3-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propanamide Openeye Name: (3S)-3-acetamido-3-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propanamide CAS Name: (3S)-3-acetamido-3-(4-methoxyphenyl)-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]propanamide IUPAC Name: (3S)-3-acetamido-3-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propanamide Traditional Name: (3S)-3-acetamido-3-(4-methoxyphenyl)-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]propionamide Formula: C21H34N3O3+ MolecularWeight: 376.51296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC(=O)CC(C2=CC=C(C=C2)OC)NC(=O)C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC(=O)C[C@@H](C2=CC=C(C=C2)OC)NC(=O)C

InChI

InChI=1S/C21H33N3O3/c1-16-9-13-24(14-10-16)12-4-11-22-21(26)15-20(23-17(2)25)18-5-7-19(27-3)8-6-18/h5-8,16,20H,4,9-15H2,1-3H3,(H,22,26)(H,23,25)/p+1/t20-/m0/s1