4-[2-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,4-oxazepane

Systemtic Name: 4-[2-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,4-oxazepane Openeye Name: 4-[2-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,4-oxazepane CAS Name: 4-[2-[(3S)-3-phenyl-1-pyrrolidin-1-iumyl]ethyl]-1,4-oxazepane IUPAC Name: 4-[2-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,4-oxazepane Traditional Name: 4-[2-[(3S)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,4-oxazepane Formula: C17H27N2O+ MolecularWeight: 275.40908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCOC1)CC[NH+]2CCC(C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCOC1)CC[NH+]2CC[C@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C17H26N2O/c1-2-5-16(6-3-1)17-7-9-19(15-17)11-10-18-8-4-13-20-14-12-18/h1-3,5-6,17H,4,7-15H2/p+1/t17-/m1/s1