[2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-(cyclohexylmethyl)azanium

Systemtic Name: [2-[[4-(azepan-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-(cyclohexylmethyl)azanium Openeye Name: [2-[4-(azepan-1-yl)anilino]-2-oxo-ethyl]-(cyclohexylmethyl)ammonium CAS Name: [2-[4-(1-azepanyl)anilino]-2-oxoethyl]-(cyclohexylmethyl)ammonium IUPAC Name: [2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-(cyclohexylmethyl)azanium Traditional Name: [2-[4-(azepan-1-yl)anilino]-2-keto-ethyl]-(cyclohexylmethyl)ammonium Formula: C21H34N3O+ MolecularWeight: 344.51416

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH2+]CC3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH2+]CC3CCCCC3

InChI

InChI=1S/C21H33N3O/c25-21(17-22-16-18-8-4-3-5-9-18)23-19-10-12-20(13-11-19)24-14-6-1-2-7-15-24/h10-13,18,22H,1-9,14-17H2,(H,23,25)/p+1