N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-morpholin-4-yl-2-oxidanylidene-ethyl)piperazin-4-ium-1-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(2-morpholino-2-oxo-ethyl)piperazin-4-ium-1-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-[2-(4-morpholinyl)-2-oxoethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(2-morpholin-4-yl-2-oxoethyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-keto-2-morpholino-ethyl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]piperazin-4-ium-1-carboxamide Formula: C24H39N5O4+2 MolecularWeight: 461.59756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)N2CC[NH+](CC2)CC(=O)N3CCOCC3)[NH+]4CCCC4

InChI

InChI=1S/C24H37N5O4/c1-32-21-6-4-20(5-7-21)22(27-8-2-3-9-27)18-25-24(31)29-12-10-26(11-13-29)19-23(30)28-14-16-33-17-15-28/h4-7,22H,2-3,8-19H2,1H3,(H,25,31)/p+2/t22-/m0/s1