N-[(1R,2R)-2-phenylcyclopentyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride

Systemtic Name: N-[(1R,2R)-2-phenylcyclopentyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride Openeye Name: N-[(1R,2R)-2-phenylcyclopentyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride CAS Name: N-[(1R,2R)-2-phenylcyclopentyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride IUPAC Name: N-[(1R,2R)-2-phenylcyclopentyl]-3,4,5,6-tetrahydro-2H-azepin-1-ium-7-amine chloride Traditional Name: [(1R,2R)-2-phenylcyclopentyl]-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)amine chloride Formula: C17H25ClN2 MolecularWeight: 292.8468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=[NH+]CC1)NC2CCCC2C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCC(=[NH+]CC1)N[C@@H]2CCC[C@@H]2C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H24N2.ClH/c1-3-8-14(9-4-1)15-10-7-11-16(15)19-17-12-5-2-6-13-18-17;/h1,3-4,8-9,15-16H,2,5-7,10-13H2,(H,18,19);1H/t15-,16-;/m1./s1