[(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone

Systemtic Name: [(3R,4R)-4-(4-methylpiperazin-4-ium-1-yl)-3-oxidanyl-piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone Openeye Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)-1-piperidyl]-(4-pyrrolidin-1-ylphenyl)methanone CAS Name: [(3R,4R)-3-hydroxy-4-(4-methyl-1-piperazin-4-iumyl)-1-piperidinyl]-[4-(1-pyrrolidinyl)phenyl]methanone IUPAC Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone Traditional Name: [(3R,4R)-3-hydroxy-4-(4-methylpiperazin-4-ium-1-yl)piperidino]-(4-pyrrolidinophenyl)methanone Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2O)C(=O)C3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H]2CCN(C[C@H]2O)C(=O)C3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C21H32N4O2/c1-22-12-14-24(15-13-22)19-8-11-25(16-20(19)26)21(27)17-4-6-18(7-5-17)23-9-2-3-10-23/h4-7,19-20,26H,2-3,8-16H2,1H3/p+1/t19-,20-/m1/s1