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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)C(=O)NC2=C(C=C(C=C2)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-11-6-4-5-9-19(11)12(2)16(20)18-15-8-7-13(21-3)10-14(15)17/h7-8,10-12H,4-6,9,17H2,1-3H3,(H,18,20)/p+1/t11-,12-/m0/s1