[6-(2-methoxyethylamino)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone

Systemtic Name: [6-(2-methoxyethylamino)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Openeye Name: [6-(2-methoxyethylamino)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone CAS Name: [6-(2-methoxyethylamino)-3-pyridin-1-iumyl]-[(4S)-4-phenyl-1-azepanyl]methanone IUPAC Name: [6-(2-methoxyethylamino)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Traditional Name: [6-(2-methoxyethylamino)pyridin-1-ium-3-yl]-[(4S)-4-phenylazepan-1-yl]methanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=[NH+]C=C(C=C1)C(=O)N2CCCC(CC2)C3=CC=CC=C3

Isomeric SMILES

COCCNC1=[NH+]C=C(C=C1)C(=O)N2CCC[C@@H](CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-26-15-12-22-20-10-9-19(16-23-20)21(25)24-13-5-8-18(11-14-24)17-6-3-2-4-7-17/h2-4,6-7,9-10,16,18H,5,8,11-15H2,1H3,(H,22,23)/p+1/t18-/m0/s1