[(4S)-4-[(4-ethoxyphenyl)methyl-[(4-methylphenyl)carbamoyl]amino]pentyl]-diethyl-azanium

Systemtic Name: [(4S)-4-[(4-ethoxyphenyl)methyl-[(4-methylphenyl)carbamoyl]amino]pentyl]-diethyl-azanium Openeye Name: [(4S)-4-[(4-ethoxyphenyl)methyl-(p-tolylcarbamoyl)amino]pentyl]-diethyl-ammonium CAS Name: [(4S)-4-[(4-ethoxyphenyl)methyl-[(4-methylanilino)-oxomethyl]amino]pentyl]-diethylammonium IUPAC Name: [(4S)-4-[(4-ethoxyphenyl)methyl-[(4-methylphenyl)carbamoyl]amino]pentyl]-diethylazanium Traditional Name: [(4S)-4-[(4-ethoxybenzyl)-(p-tolylcarbamoyl)amino]pentyl]-diethyl-ammonium Formula: C26H40N3O2+ MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)N(CC1=CC=C(C=C1)OCC)C(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)N(CC1=CC=C(C=C1)OCC)C(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C26H39N3O2/c1-6-28(7-2)19-9-10-22(5)29(20-23-13-17-25(18-14-23)31-8-3)26(30)27-24-15-11-21(4)12-16-24/h11-18,22H,6-10,19-20H2,1-5H3,(H,27,30)/p+1/t22-/m0/s1