1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-4-phenyl-piperazin-1-ium

Systemtic Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[[2-isopentylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)-4-imidazolyl]methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[[3-(2-methoxyethyl)-2-(3-methylbutylsulfonyl)imidazol-4-yl]methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[[2-isoamylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-phenyl-piperazin-1-ium Formula: C22H35N4O3S+ MolecularWeight: 435.6033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCS(=O)(=O)C1=NC=C(N1CCOC)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H34N4O3S/c1-19(2)9-16-30(27,28)22-23-17-21(26(22)14-15-29-3)18-24-10-12-25(13-11-24)20-7-5-4-6-8-20/h4-8,17,19H,9-16,18H2,1-3H3/p+1