4-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-7-chloranyl-quinolin-1-ium

Systemtic Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-7-chloranyl-quinolin-1-ium Openeye Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-7-chloro-quinolin-1-ium CAS Name: 4-[4-[(4-tert-butylphenyl)methyl]-1-piperazin-4-iumyl]-7-chloroquinolin-1-ium IUPAC Name: 4-[4-[(4-tert-butylphenyl)methyl]piperazin-4-ium-1-yl]-7-chloroquinolin-1-ium Traditional Name: 4-[4-(4-tert-butylbenzyl)piperazin-4-ium-1-yl]-7-chloro-quinolin-1-ium Formula: C24H30ClN3+2 MolecularWeight: 395.9681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl

InChI

InChI=1S/C24H28ClN3/c1-24(2,3)19-6-4-18(5-7-19)17-27-12-14-28(15-13-27)23-10-11-26-22-16-20(25)8-9-21(22)23/h4-11,16H,12-15,17H2,1-3H3/p+2