[(3S,6S)-6-methylpiperidin-1-ium-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [(3S,6S)-6-methylpiperidin-1-ium-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [(3S,6S)-6-methylpiperidin-1-ium-3-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [(3S,6S)-6-methyl-3-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [(3S,6S)-6-methylpiperidin-1-ium-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [(3S,6S)-6-methylpiperidin-1-ium-3-yl]-(4-phenylpiperazino)methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C[NH2+]1)C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CC[C@@H](C[NH2+]1)C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C17H25N3O/c1-14-7-8-15(13-18-14)17(21)20-11-9-19(10-12-20)16-5-3-2-4-6-16/h2-6,14-15,18H,7-13H2,1H3/p+1/t14-,15-/m0/s1