(2S)-2-(3-methoxyphenyl)-1,4-diazepan-4-ium

Systemtic Name: (2S)-2-(3-methoxyphenyl)-1,4-diazepan-4-ium Openeye Name: (2S)-2-(3-methoxyphenyl)-1,4-diazepan-4-ium CAS Name: (2S)-2-(3-methoxyphenyl)-1,4-diazepan-4-ium IUPAC Name: (2S)-2-(3-methoxyphenyl)-1,4-diazepan-4-ium Traditional Name: (2S)-2-(3-methoxyphenyl)-1,4-diazepan-4-ium Formula: C12H19N2O+ MolecularWeight: 207.29206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C[NH2+]CCCN2

Isomeric SMILES

COC1=CC=CC(=C1)[C@H]2C[NH2+]CCCN2

InChI

InChI=1S/C12H18N2O/c1-15-11-5-2-4-10(8-11)12-9-13-6-3-7-14-12/h2,4-5,8,12-14H,3,6-7,9H2,1H3/p+1/t12-/m1/s1