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

Systemtic Name: N-[3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxidanylidene-propyl]benzamide Openeye Name: N-[3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]-3-oxo-propyl]benzamide CAS Name: N-[3-[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-3-oxopropyl]benzamide IUPAC Name: N-[3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-3-oxopropyl]benzamide Traditional Name: N-[3-keto-3-[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]amino]propyl]benzamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCNC(=O)C2=CC=CC=C2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCNC(=O)C2=CC=CC=C2)[NH+]3CCCC3

InChI

InChI=1S/C23H29N3O3/c1-29-20-11-9-18(10-12-20)21(26-15-5-6-16-26)17-25-22(27)13-14-24-23(28)19-7-3-2-4-8-19/h2-4,7-12,21H,5-6,13-17H2,1H3,(H,24,28)(H,25,27)/p+1/t21-/m0/s1