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

Systemtic Name: 2-[1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-4-propyl-piperidin-1-ium-2-yl]guanidine Openeye Name: 2-[1-[(4-tert-butylphenyl)methyl]-4-propyl-1-(4-sec-butylphenyl)piperidin-1-ium-2-yl]guanidine CAS Name: 2-[1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-4-propyl-2-piperidin-1-iumyl]guanidine IUPAC Name: 2-[1-(4-butan-2-ylphenyl)-1-[(4-tert-butylphenyl)methyl]-4-propylpiperidin-1-ium-2-yl]guanidine Traditional Name: 2-[1-(4-tert-butylbenzyl)-4-propyl-1-(4-sec-butylphenyl)piperidin-1-ium-2-yl]guanidine Formula: C30H47N4+ MolecularWeight: 463.72098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC[N+](C(C1)N=C(N)N)(CC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)CC

Isomeric SMILES

CCCC1CC[N+](C(C1)N=C(N)N)(CC2=CC=C(C=C2)C(C)(C)C)C3=CC=C(C=C3)C(C)CC

InChI

InChI=1S/C30H47N4/c1-7-9-23-18-19-34(28(20-23)33-29(31)32,27-16-12-25(13-17-27)22(3)8-2)21-24-10-14-26(15-11-24)30(4,5)6/h10-17,22-23,28H,7-9,18-21H2,1-6H3,(H4,31,32,33)/q+1