1-[(2S)-butan-2-yl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazin-1-ium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(1S)-1-methylpropyl]piperazin-4-ium CAS Name: 1-[(2S)-butan-2-yl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazin-1-ium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2S)-butan-2-yl]piperazin-4-ium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(1S)-1-methylpropyl]piperazin-4-ium Formula: C20H35N3+2 MolecularWeight: 317.512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)[NH+]1CCN(CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[NH+]1CCN(CC1)C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H33N3/c1-3-18(2)22-13-15-23(16-14-22)20-9-11-21(12-10-20)17-19-7-5-4-6-8-19/h4-8,18,20H,3,9-17H2,1-2H3/p+2/t18-/m0/s1