1-[4-[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(3S,4S)-1-(4-methoxyphenyl)carbonyl-4-oxidanyl-pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-yl]ethanone CAS Name: 1-[4-[(3S,4S)-4-hydroxy-1-[(4-methoxyphenyl)-oxomethyl]-3-pyrrolidinyl]-1,4-diazepan-4-ium-1-yl]ethanone IUPAC Name: 1-[4-[(3S,4S)-4-hydroxy-1-(4-methoxybenzoyl)pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-yl]ethanone Traditional Name: 1-[4-[(3S,4S)-4-hydroxy-1-p-anisoyl-pyrrolidin-3-yl]-1,4-diazepan-4-ium-1-yl]ethanone Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)C2CN(CC2O)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)[C@H]2CN(C[C@@H]2O)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H27N3O4/c1-14(23)20-8-3-9-21(11-10-20)17-12-22(13-18(17)24)19(25)15-4-6-16(26-2)7-5-15/h4-7,17-18,24H,3,8-13H2,1-2H3/p+1/t17-,18-/m0/s1