methyl N-[4-[(3S)-3-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]carbamate

Systemtic Name: methyl N-[4-[(3S)-3-(4-methylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]sulfonylphenyl]carbamate Openeye Name: methyl N-[4-[[(3S)-3-(4-methylpiperazin-4-ium-1-carbonyl)-1-piperidyl]sulfonyl]phenyl]carbamate CAS Name: N-[4-[[(3S)-3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-piperidinyl]sulfonyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[4-[(3S)-3-(4-methylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]sulfonylphenyl]carbamate Traditional Name: N-[4-[(3S)-3-(4-methylpiperazin-4-ium-1-carbonyl)piperidino]sulfonylphenyl]carbamic acid methyl ester Formula: C19H29N4O5S+ MolecularWeight: 425.52236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)OC

InChI

InChI=1S/C19H28N4O5S/c1-21-10-12-22(13-11-21)18(24)15-4-3-9-23(14-15)29(26,27)17-7-5-16(6-8-17)20-19(25)28-2/h5-8,15H,3-4,9-14H2,1-2H3,(H,20,25)/p+1/t15-/m0/s1