(2R)-4-(4-methoxyphenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazin-1-ium-2-carboxamide

Systemtic Name: (2R)-4-(4-methoxyphenyl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]piperazin-1-ium-2-carboxamide Openeye Name: (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxo-3-piperidyl]piperazin-1-ium-2-carboxamide CAS Name: (2R)-4-[(4-methoxyphenyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2R)-4-(4-methoxybenzoyl)-N-[(3S)-2-oxopiperidin-3-yl]piperazin-1-ium-2-carboxamide Traditional Name: (2R)-N-[(3S)-2-keto-3-piperidyl]-4-p-anisoyl-piperazin-1-ium-2-carboxamide Formula: C18H25N4O4+ MolecularWeight: 361.4155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CC[NH2+]C(C2)C(=O)NC3CCCNC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CC[NH2+][C@H](C2)C(=O)N[C@H]3CCCNC3=O

InChI

InChI=1S/C18H24N4O4/c1-26-13-6-4-12(5-7-13)18(25)22-10-9-19-15(11-22)17(24)21-14-3-2-8-20-16(14)23/h4-7,14-15,19H,2-3,8-11H2,1H3,(H,20,23)(H,21,24)/p+1/t14-,15+/m0/s1