[(3S)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [(3S)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(3S)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(3S)-1-(2-methoxyethyl)-3-pyrrolidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(3S)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(3S)-1-(2-methoxyethyl)pyrrolidin-1-ium-3-yl]-(4-phenylpiperazino)methanone Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+]1CCC(C1)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COCC[NH+]1CC[C@@H](C1)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H27N3O2/c1-23-14-13-19-8-7-16(15-19)18(22)21-11-9-20(10-12-21)17-5-3-2-4-6-17/h2-6,16H,7-15H2,1H3/p+1/t16-/m0/s1