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

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

CC1CCCC[NH+]1C(CCC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

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

InChI

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