4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butylazanium

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butylazanium Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butylammonium CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]butylammonium IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butylazanium Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]butylammonium Formula: C16H29N3+2 MolecularWeight: 263.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCCC[NH3+])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CCCC[NH3+])C

InChI

InChI=1S/C16H27N3/c1-14-6-5-7-16(15(14)2)19-12-10-18(11-13-19)9-4-3-8-17/h5-7H,3-4,8-13,17H2,1-2H3/p+2