N-[4-(azepan-1-yl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C20H31N3O/c1-17-7-6-12-22(15-17)16-20(24)21-18-8-10-19(11-9-18)23-13-4-2-3-5-14-23/h8-11,17H,2-7,12-16H2,1H3,(H,21,24)/p+1/t17-/m0/s1