1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-piperidin-1-yl-guanidine hydrochloride

Systemtic Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-piperidin-1-yl-guanidine hydrochloride Openeye Name: 1-[(4-tert-butylphenyl)methyl]-2-(1-piperidyl)-1-(4-sec-butylphenyl)guanidine hydrochloride CAS Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-(1-piperidinyl)guanidine hydrochloride IUPAC Name: 1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-2-piperidin-1-ylguanidine hydrochloride Traditional Name: 1-(4-tert-butylbenzyl)-2-piperidino-1-(4-sec-butylphenyl)guanidine hydrochloride Formula: C27H41ClN4 MolecularWeight: 457.09424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)C(=NN3CCCCC3)N.Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C(C)(C)C)/C(=N\N3CCCCC3)/N.Cl

InChI

InChI=1S/C27H40N4.ClH/c1-6-21(2)23-12-16-25(17-13-23)31(26(28)29-30-18-8-7-9-19-30)20-22-10-14-24(15-11-22)27(3,4)5;/h10-17,21H,6-9,18-20H2,1-5H3,(H2,28,29);1H