[1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [1-[(3-methyl-2-thiophenyl)methyl]-4-piperidin-1-iumyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [1-[(3-methylthiophen-2-yl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [1-[(3-methyl-2-thienyl)methyl]piperidin-1-ium-4-yl]-(4-phenylpiperazino)methanone Formula: C22H30N3OS+ MolecularWeight: 384.5581

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)C[NH+]2CCC(CC2)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C22H29N3OS/c1-18-9-16-27-21(18)17-23-10-7-19(8-11-23)22(26)25-14-12-24(13-15-25)20-5-3-2-4-6-20/h2-6,9,16,19H,7-8,10-15,17H2,1H3/p+1