(2S)-N-(2-azanyl-4-methoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(2-azanyl-4-methoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(2-amino-4-methoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(2-amino-4-methoxyphenyl)-2-[(3R)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(2-amino-4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(2-amino-4-methoxy-phenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=C(C=C(C=C2)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-11-5-4-8-19(10-11)12(2)16(20)18-15-7-6-13(21-3)9-14(15)17/h6-7,9,11-12H,4-5,8,10,17H2,1-3H3,(H,18,20)/p+1/t11-,12+/m1/s1