6-chloranyl-1-(phenylmethyl)-2,3,4,7-tetrahydroazepine-5-carbaldehyde hydrochloride

Systemtic Name: 6-chloranyl-1-(phenylmethyl)-2,3,4,7-tetrahydroazepine-5-carbaldehyde hydrochloride Openeye Name: 1-benzyl-6-chloro-2,3,4,7-tetrahydroazepine-5-carbaldehyde hydrochloride CAS Name: 6-chloro-1-(phenylmethyl)-2,3,4,7-tetrahydroazepine-5-carboxaldehyde hydrochloride IUPAC Name: 1-benzyl-6-chloro-2,3,4,7-tetrahydroazepine-5-carbaldehyde hydrochloride Traditional Name: 1-benzyl-6-chloro-2,3,4,7-tetrahydroazepine-5-carbaldehyde hydrochloride Formula: C14H17Cl2NO MolecularWeight: 286.19688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(CN(C1)CC2=CC=CC=C2)Cl)C=O.Cl

Isomeric SMILES

C1CC(=C(CN(C1)CC2=CC=CC=C2)Cl)C=O.Cl

InChI

InChI=1S/C14H16ClNO.ClH/c15-14-10-16(8-4-7-13(14)11-17)9-12-5-2-1-3-6-12;/h1-3,5-6,11H,4,7-10H2;1H