4-(2-phenoxyethyl)-N-(4-propan-2-ylphenyl)-1,4-diazepan-4-ium-1-carboxamide

Systemtic Name: 4-(2-phenoxyethyl)-N-(4-propan-2-ylphenyl)-1,4-diazepan-4-ium-1-carboxamide Openeye Name: N-(4-isopropylphenyl)-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide CAS Name: 4-(2-phenoxyethyl)-N-(4-propan-2-ylphenyl)-1,4-diazepan-4-ium-1-carboxamide IUPAC Name: 4-(2-phenoxyethyl)-N-(4-propan-2-ylphenyl)-1,4-diazepan-4-ium-1-carboxamide Traditional Name: N-p-cumenyl-4-(2-phenoxyethyl)-1,4-diazepan-4-ium-1-carboxamide Formula: C23H32N3O2+ MolecularWeight: 382.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)N2CCC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O2/c1-19(2)20-9-11-21(12-10-20)24-23(27)26-14-6-13-25(15-16-26)17-18-28-22-7-4-3-5-8-22/h3-5,7-12,19H,6,13-18H2,1-2H3,(H,24,27)/p+1