N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxidanylidene-ethyl]-3,4-dimethyl-benzamide Openeye Name: N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-2-oxo-ethyl]-3,4-dimethyl-benzamide CAS Name: N-[2-[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide IUPAC Name: N-[2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide Traditional Name: N-[2-keto-2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]ethyl]-3,4-dimethyl-benzamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)NCC(C2=CC=CC=C2OC)[NH+]3CCCC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)NC[C@@H](C2=CC=CC=C2OC)[NH+]3CCCC3)C

InChI

InChI=1S/C24H31N3O3/c1-17-10-11-19(14-18(17)2)24(29)26-16-23(28)25-15-21(27-12-6-7-13-27)20-8-4-5-9-22(20)30-3/h4-5,8-11,14,21H,6-7,12-13,15-16H2,1-3H3,(H,25,28)(H,26,29)/p+1/t21-/m0/s1