[4-(phenylmethyl)piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone

Systemtic Name: [4-(phenylmethyl)piperazin-1-yl]-[(3S)-piperidin-1-ium-3-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[(3S)-piperidin-1-ium-3-yl]methanone CAS Name: [4-(phenylmethyl)-1-piperazinyl]-[(3S)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[(3S)-piperidin-1-ium-3-yl]methanone Traditional Name: (4-benzylpiperazino)-[(3S)-piperidin-1-ium-3-yl]methanone Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H25N3O/c21-17(16-7-4-8-18-13-16)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-3,5-6,16,18H,4,7-14H2/p+1/t16-/m0/s1