1-[(2S)-butan-2-yl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(2S)-butan-2-yl]piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-[(1S)-1-methylpropyl]piperazine-1,4-diium Formula: C20H36N3+3 MolecularWeight: 318.51994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@H](C)[NH+]1CC[NH+](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+3/t18-/m0/s1