1-[(4-propan-2-ylphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(4-propan-2-ylphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(4-isopropylphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)piperazin-1-ium CAS Name: 1-[(4-propan-2-ylphenyl)methyl]-4-[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]piperazin-1-ium IUPAC Name: 1-[(4-propan-2-ylphenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-(4-isopropylbenzyl)-4-(5-pyrrolidinosulfonyl-2-pyridyl)piperazin-1-ium Formula: C23H33N4O2S+ MolecularWeight: 429.59872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H32N4O2S/c1-19(2)21-7-5-20(6-8-21)18-25-13-15-26(16-14-25)23-10-9-22(17-24-23)30(28,29)27-11-3-4-12-27/h5-10,17,19H,3-4,11-16,18H2,1-2H3/p+1