N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrol-1-yl-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-pyrrol-1-yl-benzamide Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=CC=C2)N3C=CC=C3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=CC=C2)N3C=CC=C3)[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O3/c1-29-22-9-7-19(8-10-22)23(27-13-15-30-16-14-27)18-25-24(28)20-5-4-6-21(17-20)26-11-2-3-12-26/h2-12,17,23H,13-16,18H2,1H3,(H,25,28)/p+1/t23-/m0/s1