[(2S)-piperidin-1-ium-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [(2S)-piperidin-1-ium-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [(2S)-piperidin-1-ium-2-yl]-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [(2S)-2-piperidin-1-iumyl]-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [(2S)-piperidin-1-ium-2-yl]-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [(2S)-piperidin-1-ium-2-yl]-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C16H26N4O+2 MolecularWeight: 290.40384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH2+]C(C1)C(=O)N2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

C1CC[NH2+][C@@H](C1)C(=O)N2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C16H24N4O/c21-16(15-5-1-2-7-18-15)20-10-8-19(9-11-20)13-14-4-3-6-17-12-14/h3-4,6,12,15,18H,1-2,5,7-11,13H2/p+2/t15-/m0/s1