(3-morpholin-4-ylsulfonylphenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: (3-morpholinosulfonylphenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [3-(4-morpholinylsulfonyl)phenyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: (3-morpholinosulfonylphenyl)-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C21H33N4O4S+ MolecularWeight: 437.57612

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H32N4O4S/c26-21(24-12-10-23(11-13-24)9-8-22-6-1-2-7-22)19-4-3-5-20(18-19)30(27,28)25-14-16-29-17-15-25/h3-5,18H,1-2,6-17H2/p+1