1-[(S)-(3,4-dimethylphenyl)-pyridin-4-yl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(3,4-dimethylphenyl)-pyridin-4-yl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(3,4-dimethylphenyl)-(4-pyridyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]piperazin-4-ium IUPAC Name: 1-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-(3,4-dimethylphenyl)-(4-pyridyl)methyl]piperazin-4-ium Formula: C18H24N3+ MolecularWeight: 282.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC=NC=C2)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@@H](C2=CC=NC=C2)N3CC[NH2+]CC3)C

InChI

InChI=1S/C18H23N3/c1-14-3-4-17(13-15(14)2)18(16-5-7-19-8-6-16)21-11-9-20-10-12-21/h3-8,13,18,20H,9-12H2,1-2H3/p+1/t18-/m1/s1