N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonyl-1-(phenylmethyl)piperidin-4-amine oxide

Systemtic Name: N-(4-azanyl-5-chloranyl-2-methoxy-phenyl)carbonyl-1-(phenylmethyl)piperidin-4-amine oxide Openeye Name: N-(4-amino-5-chloro-2-methoxy-benzoyl)-1-benzyl-piperidin-4-amine oxide CAS Name: N-[(4-amino-5-chloro-2-methoxyphenyl)-oxomethyl]-1-(phenylmethyl)-4-piperidinamine oxide IUPAC Name: N-(4-amino-5-chloro-2-methoxybenzoyl)-1-benzylpiperidin-4-amine oxide Traditional Name: N-(4-amino-5-chloro-2-methoxy-benzoyl)-1-benzyl-piperidin-4-amine oxide Formula: C20H24ClN3O3 MolecularWeight: 389.87586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)[NH+](C2CCN(CC2)CC3=CC=CC=C3)[O-])Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)[NH+](C2CCN(CC2)CC3=CC=CC=C3)[O-])Cl)N

InChI

InChI=1S/C20H24ClN3O3/c1-27-19-12-18(22)17(21)11-16(19)20(25)24(26)15-7-9-23(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15,24H,7-10,13,22H2,1H3