(2S)-2-methyl-4-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-1-propan-2-yl-piperazin-1-ium

Systemtic Name: (2S)-2-methyl-4-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-1-propan-2-yl-piperazin-1-ium Openeye Name: (2S)-1-isopropyl-2-methyl-4-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]piperazin-1-ium CAS Name: (2S)-2-methyl-4-[2-(4-phenyl-1-piperidin-1-iumyl)ethyl]-1-propan-2-ylpiperazin-1-ium IUPAC Name: (2S)-2-methyl-4-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]-1-propan-2-ylpiperazin-1-ium Traditional Name: (2S)-1-isopropyl-2-methyl-4-[2-(4-phenylpiperidin-1-ium-1-yl)ethyl]piperazin-1-ium Formula: C21H37N3+2 MolecularWeight: 331.53858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C(C)C)CC[NH+]2CCC(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[NH+]1C(C)C)CC[NH+]2CCC(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H35N3/c1-18(2)24-16-15-23(17-19(24)3)14-13-22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-8,18-19,21H,9-17H2,1-3H3/p+2/t19-/m0/s1