[3,5-dimethyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazol-4-yl]-dimethyl-sulfino-azanium

Systemtic Name: [3,5-dimethyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazol-4-yl]-dimethyl-sulfino-azanium Openeye Name: [3,5-dimethyl-1-(4-piperazin-1-yl-4-pyrimidin-2-yl-butyl)pyrazol-4-yl]-dimethyl-sulfino-ammonium CAS Name: [3,5-dimethyl-1-[4-(1-piperazinyl)-4-(2-pyrimidinyl)butyl]-4-pyrazolyl]-dimethyl-sulfinoammonium IUPAC Name: [3,5-dimethyl-1-(4-piperazin-1-yl-4-pyrimidin-2-ylbutyl)pyrazol-4-yl]-dimethyl-sulfinoazanium Traditional Name: [3,5-dimethyl-1-[4-piperazino-4-(2-pyrimidyl)butyl]pyrazol-4-yl]-dimethyl-sulfino-ammonium Formula: C19H32N7O2S+ MolecularWeight: 422.56808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)[N+](C)(C)S(=O)O

Isomeric SMILES

CC1=C(C(=NN1CCCC(C2=NC=CC=N2)N3CCNCC3)C)[N+](C)(C)S(=O)O

InChI

InChI=1S/C19H31N7O2S/c1-15-18(26(3,4)29(27)28)16(2)25(23-15)12-5-7-17(19-21-8-6-9-22-19)24-13-10-20-11-14-24/h6,8-9,17,20H,5,7,10-14H2,1-4H3/p+1