[2-[(3-azanyl-4-ethyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: [2-[(3-azanyl-4-ethyl-phenyl)amino]-2-oxidanylidene-ethyl]-(phenylmethyl)-propan-2-yl-azanium Openeye Name: [2-(3-amino-4-ethyl-anilino)-2-oxo-ethyl]-benzyl-isopropyl-ammonium CAS Name: [2-(3-amino-4-ethylanilino)-2-oxoethyl]-(phenylmethyl)-propan-2-ylammonium IUPAC Name: [2-(3-amino-4-ethylanilino)-2-oxoethyl]-benzyl-propan-2-ylazanium Traditional Name: [2-(3-amino-4-ethyl-anilino)-2-keto-ethyl]-benzyl-isopropyl-ammonium Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+](CC2=CC=CC=C2)C(C)C)N

InChI

InChI=1S/C20H27N3O/c1-4-17-10-11-18(12-19(17)21)22-20(24)14-23(15(2)3)13-16-8-6-5-7-9-16/h5-12,15H,4,13-14,21H2,1-3H3,(H,22,24)/p+1