(2S)-4-(2-methylpropyl)-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]morpholin-4-ium

Systemtic Name: (2S)-4-(2-methylpropyl)-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]morpholin-4-ium Openeye Name: (2S)-4-isobutyl-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]morpholin-4-ium CAS Name: (2S)-4-(2-methylpropyl)-2-[[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]methyl]morpholin-4-ium IUPAC Name: (2S)-4-(2-methylpropyl)-2-[(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]morpholin-4-ium Traditional Name: (2S)-4-isobutyl-2-[[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]methyl]morpholin-4-ium Formula: C23H35N3O3S+2 MolecularWeight: 433.6073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCOC(C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)C[NH+]1CCO[C@H](C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H33N3O3S/c1-19(2)16-25-13-14-29-22(18-25)17-24-9-11-26(12-10-24)30(27,28)23-8-7-20-5-3-4-6-21(20)15-23/h3-8,15,19,22H,9-14,16-18H2,1-2H3/p+2/t22-/m0/s1