(2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-1-piperazin-1-yl-butan-1-one

Systemtic Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-1-piperazin-1-yl-butan-1-one Openeye Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-1-piperazin-1-yl-butan-1-one CAS Name: (2S)-2-[(3S)-3-methyl-1-piperidin-1-iumyl]-4-phenyl-1-(1-piperazinyl)-1-butanone IUPAC Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-1-piperazin-1-ylbutan-1-one Traditional Name: (2S)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-4-phenyl-1-piperazino-butan-1-one Formula: C20H32N3O+ MolecularWeight: 330.48758

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(CCC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](CCC2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C20H31N3O/c1-17-6-5-13-23(16-17)19(10-9-18-7-3-2-4-8-18)20(24)22-14-11-21-12-15-22/h2-4,7-8,17,19,21H,5-6,9-16H2,1H3/p+1/t17-,19-/m0/s1