(3S)-1-[1-[3-[(2-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-[3-[(2-methoxyphenyl)carbonylamino]phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-[3-[(2-methoxybenzoyl)amino]phenyl]-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[3-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-[3-[(2-methoxybenzoyl)amino]phenyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-[3-(o-anisoylamino)phenyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C25H33N4O3+ MolecularWeight: 437.55452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCCC(C4)C(=O)N

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=CC(=C2)N3CCC(CC3)[NH+]4CCC[C@@H](C4)C(=O)N

InChI

InChI=1S/C25H32N4O3/c1-32-23-10-3-2-9-22(23)25(31)27-19-7-4-8-21(16-19)28-14-11-20(12-15-28)29-13-5-6-18(17-29)24(26)30/h2-4,7-10,16,18,20H,5-6,11-15,17H2,1H3,(H2,26,30)(H,27,31)/p+1/t18-/m0/s1