[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: (4-phenylpiperazino)-(1-piperonylpiperidin-1-ium-4-yl)methanone Formula: C24H30N3O3+ MolecularWeight: 408.5133

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CCN(CC2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H29N3O3/c28-24(27-14-12-26(13-15-27)21-4-2-1-3-5-21)20-8-10-25(11-9-20)17-19-6-7-22-23(16-19)30-18-29-22/h1-7,16,20H,8-15,17-18H2/p+1