1-[(S)-(4-tert-butylphenyl)-pyridin-4-yl-methyl]piperazin-4-ium

Systemtic Name: 1-[(S)-(4-tert-butylphenyl)-pyridin-4-yl-methyl]piperazin-4-ium Openeye Name: 1-[(S)-(4-tert-butylphenyl)-(4-pyridyl)methyl]piperazin-4-ium CAS Name: 1-[(S)-(4-tert-butylphenyl)-pyridin-4-ylmethyl]piperazin-4-ium IUPAC Name: 1-[(S)-(4-tert-butylphenyl)-pyridin-4-ylmethyl]piperazin-4-ium Traditional Name: 1-[(S)-(4-tert-butylphenyl)-(4-pyridyl)methyl]piperazin-4-ium Formula: C20H28N3+ MolecularWeight: 310.45642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-20(2,3)18-6-4-16(5-7-18)19(17-8-10-21-11-9-17)23-14-12-22-13-15-23/h4-11,19,22H,12-15H2,1-3H3/p+1/t19-/m0/s1