1-(2,5-dimethylphenyl)-4-(2-piperidin-1-ium-1-ylethyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(2-piperidin-1-ium-1-ylethyl)piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-(2-piperidin-1-ium-1-ylethyl)piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[2-(1-piperidin-1-iumyl)ethyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-(2-piperidin-1-ium-1-ylethyl)piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(2-piperidin-1-ium-1-ylethyl)piperazin-4-ium Formula: C19H33N3+2 MolecularWeight: 303.48542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC[NH+]3CCCCC3

InChI

InChI=1S/C19H31N3/c1-17-6-7-18(2)19(16-17)22-14-12-21(13-15-22)11-10-20-8-4-3-5-9-20/h6-7,16H,3-5,8-15H2,1-2H3/p+2