(3-methoxy-2-pentoxy-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (3-methoxy-2-pentoxy-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (3-methoxy-2-pentoxy-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (3-methoxy-2-pentoxyphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (3-methoxy-2-pentoxyphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (2-amoxy-3-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C17H27N2O3+ MolecularWeight: 307.40788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=CC=C1OC)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CCCCCOC1=C(C=CC=C1OC)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C17H26N2O3/c1-3-4-5-13-22-16-14(7-6-8-15(16)21-2)17(20)19-11-9-18-10-12-19/h6-8,18H,3-5,9-13H2,1-2H3/p+1