1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(2S)-7-methoxytetralin-2-yl]-4-propyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(2S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-propyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(2S)-7-methoxytetralin-2-yl]-4-propyl-1,4-diazepan-1-ium-5-one Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC[NH+](CCC1=O)C2CCC3=C(C2)C=C(C=C3)OC

Isomeric SMILES

CCCN1CC[NH+](CCC1=O)[C@H]2CCC3=C(C2)C=C(C=C3)OC

InChI

InChI=1S/C19H28N2O2/c1-3-9-21-12-11-20(10-8-19(21)22)17-6-4-15-5-7-18(23-2)14-16(15)13-17/h5,7,14,17H,3-4,6,8-13H2,1-2H3/p+1/t17-/m0/s1