N-(4-tert-butylphenyl)-4-(phenylmethyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(phenylmethyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: 4-benzyl-N-(4-tert-butylphenyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-(phenylmethyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-benzyl-N-(4-tert-butylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: 4-benzyl-N-(4-tert-butylphenyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C23H32N3O+ MolecularWeight: 366.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-23(2,3)20-10-12-21(13-11-20)24-22(27)26-15-7-14-25(16-17-26)18-19-8-5-4-6-9-19/h4-6,8-13H,7,14-18H2,1-3H3,(H,24,27)/p+1